Glycoside
GD007768
Name:
NoneFormula:
C21H22O4N4SSmiles:
OC[C@@H]1OC(n2ncc3c(SCC=CC=Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(C=Cc1ccccc1)=CCSc1ncnc2c1C=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.5 | Num_heavy_atoms: | 30 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD06293
Formula: C16H13N4S
Smiles:
C(C=Cc1ccccc1)=CCSc1ncnc2c1C=N[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.37 | Num_heavy_atoms: | 21 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
